| SpectraBase Spectrum ID |
FKmHt4O1eAU |
| Name |
1,2-Cyclohexanedicarboxylic acid, isobutyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-4-5-6-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(2)3/h20-22H,4-19H2,1-3H3 |
| InChIKey |
XCIUSMYERKKAGN-UHFFFAOYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(CCCCCCCCCOC(C1CCCCC1C(=O)OCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956394 |
